1-(4-Bromopyridin-2-yl)ethanone - CAS 1060805-69-7

Catalog:	BB001784
Product Name:	1-(4-Bromopyridin-2-yl)ethanone
CAS:	1060805-69-7
Synonyms:	1-(4-bromo-2-pyridinyl)ethanone; 1-(4-bromopyridin-2-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(4-bromopyridin-2-yl)ethanone
Description:	1-(4-Bromopyridin-2-yl)ethanone (CAS# 1060805-69-7) is a useful research chemical.
Molecular Weight:	200.03
Molecular Formula:	C7H6BrNO
Canonical SMILES:	CC(=O)C1=NC=CC(=C1)Br
InChI:	InChI=1S/C7H6BrNO/c1-5(10)7-4-6(8)2-3-9-7/h2-4H,1H3
InChI Key:	NVVSJVCWQHRSKT-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.04670

Publication Number	Title	Priority Date
CN-112194620-A	Preparation method of 2-ethyl-4-cyanopyridine	20201204
CN-112194620-B	Preparation method of 2-ethyl-4-cyanopyridine	20201204
CN-112812105-A	Aminopyridyloxypyrazole derivative and preparation method and application thereof	20200324
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021045460-A1	Heterocyclic compound and organic light emitting device comprising same	20190906

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.96328
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6